tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate

C20H32N6O2 — CID 58853446

IUPACtert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate
SMILESCCc1cnn2c(N)cc(C3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C20H32N6O2/c1-5-13-12-24-26-17(21)11-16(25-18(13)26)14-6-7-15(10-14)22-8-9-23-19(27)28-20(2,3)4/h11-12,14-15,22H,5-10,21H2,1-4H3,(H,23,27)/t14?,15-/m0/s1
InChIKeyAEJNHKRGUSHFIS-LOACHALJSA-N
MW388.52 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate (PubChem CID 58853446) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate
PubChem CID58853446
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Nametert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate
SMILESCCc1cnn2c(N)cc(C3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C20H32N6O2/c1-5-13-12-24-26-17(21)11-16(25-18(13)26)14-6-7-15(10-14)22-8-9-23-19(27)28-20(2,3)4/h11-12,14-15,22H,5-10,21H2,1-4H3,(H,23,27)/t14?,15-/m0/s1
InChIKeyAEJNHKRGUSHFIS-LOACHALJSA-N
XLogP2.62
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[1-[7-(3-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]carbamate
CID 122596912
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl (2S,5S)-5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 71108431
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502731
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
CID 141409731
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
CID 123710805
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate (CID 58853446) is tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate is CCc1cnn2c(N)cc(C3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.
What is the InChIKey of tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate?
The InChIKey is AEJNHKRGUSHFIS-LOACHALJSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-5-13-12-24-26-17(21)11-16(25-18(13)26)14-6-7-15(10-14)22-8-9-23-19(27)28-20(2,3)4/h11-12,14-15,22H,5-10,21H2,1-4H3,(H,23,27)/t14?,15-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate has a molecular weight of 388.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1S)-3-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl]amino]ethyl]carbamate is sourced from PubChem (CID 58853446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).